2H-3-benzazepine

C10H9N — CID 23177331

IUPAC2H-3-benzazepine
SMILESC1=NCC=c2ccccc2=C1
InChIInChI=1S/C10H9N/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-7H,8H2
InChIKeyJPVUTECGMCLYRL-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds

About 2H-3-benzazepine

2H-3-benzazepine (PubChem CID 23177331) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 2H-3-benzazepine.

Molecular Properties

Compound Name2H-3-benzazepine
PubChem CID23177331
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name2H-3-benzazepine
SMILESC1=NCC=c2ccccc2=C1
InChIInChI=1S/C10H9N/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-7H,8H2
InChIKeyJPVUTECGMCLYRL-UHFFFAOYSA-N
XLogP0.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-3-benzazepine?
The IUPAC name of 2H-3-benzazepine (CID 23177331) is 2H-3-benzazepine.
What is the SMILES notation for 2H-3-benzazepine?
The canonical SMILES for 2H-3-benzazepine is C1=NCC=c2ccccc2=C1.
What is the InChIKey of 2H-3-benzazepine?
The InChIKey is JPVUTECGMCLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-7H,8H2.
What are the key properties of 2H-3-benzazepine?
2H-3-benzazepine has a molecular weight of 143.19 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-3-benzazepine is sourced from PubChem (CID 23177331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).